SCHEMBL776409

SCHEMBL776409

O=S(O)(O)(CC(F)(F)F)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.35
PTPN1 P18031 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
FAAH O00519 3/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL775658 0.84 CES1 (0.33) CES1PTPN1
SCHEMBL777199 0.80 CES1 (0.33) CES1PTPN1ESR1
SCHEMBL776568 0.80 CES2 (0.36) CES1PTPN1
SCHEMBL778642 0.76 CES1 (0.31) CES1CYP3A4SMN1; SMN2HIF1A
SCHEMBL777385 0.75 CES1 (0.32) CES1ALDH1A1
SCHEMBL776902 0.73 CES2 (0.32) CES1
SCHEMBL778703 0.72 CFTR (0.31)
SCHEMBL775656 0.71 CES1 (0.38) CES1PTPN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL776472 0.68 CES2 (0.36) CES1
SCHEMBL776323 0.68 CES1 (0.35) CES1PTPN1ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed